Information card for entry 4127070

Structure parameters

• Formula: C28 H58 B3 N O P2 Si2
• Calculated formula: C28 H58 B3 N O P2 Si2
• SMILES: B1(C(C=C(BB([P](C)(C)C)[P](C)(C)C)N1c1c(cccc1C(C)C)C(C)C)([Si](C)(C)C)[Si](C)(C)C)OC
• Title of publication: A Boron Analogue of Vinylidene Dication Supported by Phosphines.
• Authors of publication: Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.8778 ± 0.0004 Å
• b: 31.5436 ± 0.0012 Å
• c: 12.5366 ± 0.0004 Å
• α: 90°
• β: 111.393 ± 0.0014°
• γ: 90°
• Cell volume: 3637 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No